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Compile Data Set for Download or QSAR

Found 730 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor beta'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224533
PNG
(CHEMBL12555)
Show SMILES COc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1
Show InChI InChI=1S/C31H58N2O9/c1-22(32)14-36-16-24(3)38-18-26(5)40-20-28(7)41-19-27(6)39-17-25(4)37-15-23(2)33-13-29(34)21-42-31-11-9-30(35-8)10-12-31/h9-12,22-29,33-34H,13-21,32H2,1-8H3
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n/an/an/a 0.00285n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0631n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor S190A mutant expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0631n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat wild type beta-1 adrenergic receptor expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0631n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor W134A mutant expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.0794n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor Y356F mutant expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224529
PNG
(CHEMBL275500)
Show SMILES CC(COCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12)OCC(C)OCC(C)N(CC(O)COc1cccc2ccccc12)CC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C64H76N2O11/c1-45(65(33-53(67)41-74-61-29-13-21-49-17-5-9-25-57(49)61)34-54(68)42-75-62-30-14-22-50-18-6-10-26-58(50)62)37-71-39-47(3)73-40-48(4)72-38-46(2)66(35-55(69)43-76-63-31-15-23-51-19-7-11-27-59(51)63)36-56(70)44-77-64-32-16-24-52-20-8-12-28-60(52)64/h5-32,45-48,53-56,67-70H,33-44H2,1-4H3
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n/an/an/a 0.103n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405526
PNG
(CHEMBL543955)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-12-18(21)14-23-19-8-6-16(7-9-19)10-11-22-13-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3
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n/an/an/a 0.275n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405526
PNG
(CHEMBL543955)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-12-18(21)14-23-19-8-6-16(7-9-19)10-11-22-13-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3
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n/an/an/a 0.282n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50422862
PNG
(125I-CYP | CHEMBL210309)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12
Show InChI InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3
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n/an/an/a 0.316n/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Antagonist activity at rat beta-1 adrenergic receptor Y356A mutant expressed in CHO cells


J Med Chem 49: 3467-77 (2006)


Article DOI: 10.1021/jm050624l
BindingDB Entry DOI: 10.7270/Q2NC62H4
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405522
PNG
(CHEMBL267375 | CHEMBL542536)
Show SMILES CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-13-17(21)14-23-19-9-7-16(8-10-19)11-12-22-18-5-3-4-6-18/h7-10,15,17-18,20-21H,3-6,11-14H2,1-2H3
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n/an/an/a 0.501n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
Show SMILES CC(C)NC[C@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
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n/an/an/a 0.700n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)


J Med Chem 24: 1211-4 (1981)


Article DOI: 10.1021/jm00142a017
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224552
PNG
(CHEMBL265726)
Show SMILES CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C60H84N2O11/c1-9-21-49-25-13-17-29-57(49)70-41-53(63)33-61(34-54(64)42-71-58-30-18-14-26-50(58)22-10-2)45(5)37-67-39-47(7)69-40-48(8)68-38-46(6)62(35-55(65)43-72-59-31-19-15-27-51(59)23-11-3)36-56(66)44-73-60-32-20-16-28-52(60)24-12-4/h9-20,25-32,45-48,53-56,63-66H,1-4,21-24,33-44H2,5-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224552
PNG
(CHEMBL265726)
Show SMILES CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C60H84N2O11/c1-9-21-49-25-13-17-29-57(49)70-41-53(63)33-61(34-54(64)42-71-58-30-18-14-26-50(58)22-10-2)45(5)37-67-39-47(7)69-40-48(8)68-38-46(6)62(35-55(65)43-72-59-31-19-15-27-51(59)23-11-3)36-56(66)44-73-60-32-20-16-28-52(60)24-12-4/h9-20,25-32,45-48,53-56,63-66H,1-4,21-24,33-44H2,5-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224531
PNG
(CHEMBL12630)
Show SMILES COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C52H76N2O15/c1-37(53(25-41(55)33-66-49-17-9-45(59-5)10-18-49)26-42(56)34-67-50-19-11-46(60-6)12-20-50)29-63-31-39(3)65-32-40(4)64-30-38(2)54(27-43(57)35-68-51-21-13-47(61-7)14-22-51)28-44(58)36-69-52-23-15-48(62-8)16-24-52/h9-24,37-44,55-58H,25-36H2,1-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224531
PNG
(CHEMBL12630)
Show SMILES COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C52H76N2O15/c1-37(53(25-41(55)33-66-49-17-9-45(59-5)10-18-49)26-42(56)34-67-50-19-11-46(60-6)12-20-50)29-63-31-39(3)65-32-40(4)64-30-38(2)54(27-43(57)35-68-51-21-13-47(61-7)14-22-51)28-44(58)36-69-52-23-15-48(62-8)16-24-52/h9-24,37-44,55-58H,25-36H2,1-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224525
PNG
(CHEMBL383864)
Show SMILES COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
Show InChI InChI=1S/C60H92N2O15/c1-45(61(33-53(63)41-74-57-17-9-49(10-18-57)25-29-67-5)34-54(64)42-75-58-19-11-50(12-20-58)26-30-68-6)37-71-39-47(3)73-40-48(4)72-38-46(2)62(35-55(65)43-76-59-21-13-51(14-22-59)27-31-69-7)36-56(66)44-77-60-23-15-52(16-24-60)28-32-70-8/h9-24,45-48,53-56,63-66H,25-44H2,1-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224525
PNG
(CHEMBL383864)
Show SMILES COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
Show InChI InChI=1S/C60H92N2O15/c1-45(61(33-53(63)41-74-57-17-9-49(10-18-57)25-29-67-5)34-54(64)42-75-58-19-11-50(12-20-58)26-30-68-6)37-71-39-47(3)73-40-48(4)72-38-46(2)62(35-55(65)43-76-59-21-13-51(14-22-59)27-31-69-7)36-56(66)44-77-60-23-15-52(16-24-60)28-32-70-8/h9-24,45-48,53-56,63-66H,25-44H2,1-8H3
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n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226716
PNG
(CHEMBL348176)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N
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n/an/an/a 1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dans...


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226719
PNG
(CHEMBL156754)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr
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n/an/an/a 1.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 1.30n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224527
PNG
(CHEMBL12772)
Show SMILES CC(COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C36H56N2O7/c1-7-13-31-15-9-11-17-35(31)44-25-33(39)19-37-27(3)21-41-23-29(5)43-24-30(6)42-22-28(4)38-20-34(40)26-45-36-18-12-10-16-32(36)14-8-2/h7-12,15-18,27-30,33-34,37-40H,1-2,13-14,19-26H2,3-6H3
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n/an/an/a 1.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226718
PNG
(CHEMBL156628)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr
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n/an/an/a 1.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic receptor of rat lung reticulocytes pretreated with alkylating beta-bloc...


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 1.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]Dihydroalprenolol in rat heart tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/an/a 1.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 1.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226716
PNG
(CHEMBL348176)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N
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n/an/an/a 1.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic receptor of rat heart reticulocytes pretreated with alkylating beta-blo...


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226717
PNG
((+/-)-Pindobind | CHEMBL157881)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12
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n/an/an/a 1.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226719
PNG
(CHEMBL156754)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr
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n/an/an/a 1.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224482
PNG
(CHEMBL12322)
Show SMILES CC(N)COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H42N2O5/c1-6-9-22-10-7-8-11-24(22)31-17-23(27)12-26-19(3)14-29-21(5)16-30-20(4)15-28-13-18(2)25/h6-8,10-11,18-21,23,26-27H,1,9,12-17,25H2,2-5H3
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n/an/an/a 1.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224526
PNG
(CHEMBL12007)
Show SMILES COCCc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1
Show InChI InChI=1S/C33H62N2O9/c1-24(34)16-38-18-26(3)40-20-28(5)42-22-30(7)43-21-29(6)41-19-27(4)39-17-25(2)35-15-32(36)23-44-33-11-9-31(10-12-33)13-14-37-8/h9-12,24-30,32,35-36H,13-23,34H2,1-8H3
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n/an/an/a 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/an/a 1.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224527
PNG
(CHEMBL12772)
Show SMILES CC(COCC(C)OCC(C)OCC(C)NCC(O)COc1ccccc1CC=C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C36H56N2O7/c1-7-13-31-15-9-11-17-35(31)44-25-33(39)19-37-27(3)21-41-23-29(5)43-24-30(6)42-22-28(4)38-20-34(40)26-45-36-18-12-10-16-32(36)14-8-2/h7-12,15-18,27-30,33-34,37-40H,1-2,13-14,19-26H2,3-6H3
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n/an/an/a 1.80n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405522
PNG
(CHEMBL267375 | CHEMBL542536)
Show SMILES CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1
Show InChI InChI=1S/C19H31NO3/c1-15(2)20-13-17(21)14-23-19-9-7-16(8-10-19)11-12-22-18-5-3-4-6-18/h7-10,15,17-18,20-21H,3-6,11-14H2,1-2H3
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n/an/an/a 2n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226718
PNG
(CHEMBL156628)
Show SMILES CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against purified human erythrocyte carbonic anhydrase II was determined (acetozolamide used as control.)


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 2.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]Dihydroalprenolol in rat heart tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224553
PNG
(CHEMBL12639)
Show SMILES CC(COCC(C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C48H70N2O9/c1-8-17-40-20-11-14-23-46(40)57-33-43(51)26-49-36(4)29-54-31-38(6)56-32-39(7)55-30-37(5)50(27-44(52)34-58-47-24-15-12-21-41(47)18-9-2)28-45(53)35-59-48-25-16-13-22-42(48)19-10-3/h8-16,20-25,36-39,43-45,49,51-53H,1-3,17-19,26-35H2,4-7H3
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n/an/an/a 2.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50226717
PNG
((+/-)-Pindobind | CHEMBL157881)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12
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n/an/an/a 2.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic receptor of rat heart reticulocytes


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 2.40n/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for R-enantiomer)


J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 2.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224492
PNG
(CHEMBL12068)
Show SMILES COCCc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
Show InChI InChI=1S/C48H76N2O12/c1-36(49-26-43(51)33-60-46-14-8-40(9-15-46)20-23-54-5)29-57-31-38(3)59-32-39(4)58-30-37(2)50(27-44(52)34-61-47-16-10-41(11-17-47)21-24-55-6)28-45(53)35-62-48-18-12-42(13-19-48)22-25-56-7/h8-19,36-39,43-45,49,51-53H,20-35H2,1-7H3
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TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224532
PNG
(CHEMBL12066)
Show SMILES CC(N)COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C34H58N2O8/c1-24(35)16-38-18-26(3)40-20-28(5)42-22-30(7)43-21-29(6)41-19-27(4)39-17-25(2)36-15-32(37)23-44-34-14-10-12-31-11-8-9-13-33(31)34/h8-14,24-30,32,36-37H,15-23,35H2,1-7H3
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n/an/an/a 2.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224528
PNG
(CHEMBL12379)
Show SMILES COc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C42H64N2O12/c1-30(43-20-34(45)27-54-40-14-8-37(48-5)9-15-40)23-51-25-32(3)53-26-33(4)52-24-31(2)44(21-35(46)28-55-41-16-10-38(49-6)11-17-41)22-36(47)29-56-42-18-12-39(50-7)13-19-42/h8-19,30-36,43,45-47H,20-29H2,1-7H3
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n/an/an/a 2.70n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225368
PNG
(CHEMBL47370)
Show SMILES CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-23(2,3)19-11-13-24(4,14-12-19)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 2.80n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat heart tissue at 1*10e-6 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225368
PNG
(CHEMBL47370)
Show SMILES CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-23(2,3)19-11-13-24(4,14-12-19)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 2.80n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-6 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405532
PNG
(CHEMBL544190)
Show SMILES OC(CNC1CC1)COc1ccc(CCOCC2CCC2)cc1
Show InChI InChI=1S/C19H29NO3/c21-18(12-20-17-6-7-17)14-23-19-8-4-15(5-9-19)10-11-22-13-16-2-1-3-16/h4-5,8-9,16-18,20-21H,1-3,6-7,10-14H2
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n/an/an/a 2.95n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405521
PNG
(ALO 1401-02 | ALO-1401-02 | BETAXOLOL HYDROCHLORID...)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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n/an/an/a 2.95n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405521
PNG
(ALO 1401-02 | ALO-1401-02 | BETAXOLOL HYDROCHLORID...)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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n/an/an/a 3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225368
PNG
(CHEMBL47370)
Show SMILES CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-23(2,3)19-11-13-24(4,14-12-19)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat heart tissue at 1*10e-5 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50405521
PNG
(ALO 1401-02 | ALO-1401-02 | BETAXOLOL HYDROCHLORID...)
Show SMILES CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
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n/an/an/a 3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 3.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]Dihydroalprenolol in rat heart tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
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